Detailed information for compound 1514429

Basic information

Technical information
  • TDR Targets ID: 1514429
  • Name: 2-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-6- [(4-methylphenyl)methyl]pyrazolo[3,4-e]pyrimi din-7-one
  • MW: 408.492 | Formula: C22H21FN4OS
  • H donors: 0 H acceptors: 2 LogP: 4.22 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1cc2c(n1)c(=O)n(c(n2)SCc1ccccc1F)Cc1ccc(cc1)C
  • InChi: 1S/C22H21FN4OS/c1-3-26-13-19-20(25-26)21(28)27(12-16-10-8-15(2)9-11-16)22(24-19)29-14-17-6-4-5-7-18(17)23/h4-11,13H,3,12,14H2,1-2H3
  • InChiKey: YPTMDQHKBKJTML-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethyl-5-[(2-fluorophenyl)methylthio]-6-[(4-methylphenyl)methyl]-7-pyrazolo[3,4-e]pyrimidinone
  • 2-ethyl-5-[(2-fluorobenzyl)thio]-6-(4-methylbenzyl)pyrazolo[3,4-e]pyrimidin-7-one
  • G020-0041
  • NCGC00128255-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.003 0.0975 0.1384
Schistosoma mansoni neuropeptide receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0975 0.0975
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Schistosoma mansoni amine GPCR 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) melatonin receptor type 1A 0.0015 0.0041 0.0041
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0015 0.0041 0.0041
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis neuropeptide Y receptor 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Schistosoma mansoni opsin-like receptor 0.0015 0.0041 0.0034
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Schistosoma mansoni biogenic amine receptor 0.0015 0.0041 0.0034
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0015 0.0041 0.0034
Schistosoma mansoni alpha-1 adrenergic receptor 0.0015 0.0041 0.0034
Schistosoma mansoni biogenic amine (5HT) receptor 0.014 0.7837 0.7836
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Plasmodium falciparum glutathione reductase 0.0042 0.1734 0.8533
Loa Loa (eye worm) hypothetical protein 0.014 0.7837 0.7837
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Echinococcus granulosus g protein coupled receptor 0.0015 0.0041 0.0042
Echinococcus granulosus biogenic amine 5HT receptor 0.0015 0.0041 0.0042
Brugia malayi Dopamine receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Toxoplasma gondii thioredoxin reductase 0.0042 0.1734 0.7538
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.01 0.01
Brugia malayi G protein-coupled receptor F59B2.13 0.0015 0.0041 0.0034
Echinococcus granulosus g protein coupled receptor 0.0015 0.0041 0.0042
Echinococcus granulosus sex peptide receptor 0.0015 0.0041 0.0042
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.1734 1
Loa Loa (eye worm) TYRA-2 protein 0.0015 0.0041 0.0041
Echinococcus multilocularis G-protein coupled receptor, putative 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0124 0.6794 0.6794
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Echinococcus multilocularis neuropeptide receptor 0.0015 0.0041 0.0041
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0097 0.5121 0.8837
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Schistosoma mansoni histamine h1 receptor 0.0015 0.0041 0.0034
Brugia malayi GnHR receptor homolog 0.0015 0.0041 0.0034
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Echinococcus granulosus neuropeptides capa receptor 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi Dopamine receptor protein 2 0.0015 0.0041 0.0034
Mycobacterium tuberculosis Probable dehydrogenase 0.0097 0.5121 0.8837
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi sulfakinin receptor protein 0.0015 0.0041 0.0034
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0108 0.5794 1
Echinococcus multilocularis musashi 0.003 0.0975 0.0975
Plasmodium vivax glutathione reductase, putative 0.0042 0.1734 0.7538
Echinococcus multilocularis fmrfamide receptor 0.0015 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0034
Brugia malayi putative neuropeptide receptor NPR1 0.0015 0.0041 0.0034
Brugia malayi Melatonin receptor type 1A 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.8076 0.8076
Loa Loa (eye worm) hypothetical protein 0.003 0.0941 0.0941
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Plasmodium falciparum thioredoxin reductase 0.0042 0.1734 0.8533
Echinococcus multilocularis somatostatin receptor 0.0015 0.0041 0.0041
Schistosoma mansoni amine GPCR 0.0015 0.0041 0.0034
Echinococcus multilocularis g-protein coupled receptor 0.0015 0.0041 0.0041
Brugia malayi Tachykinin-like peptides receptor 99D 0.0015 0.0041 0.0034
Brugia malayi glutathione reductase 0.0042 0.1734 0.1729
Echinococcus multilocularis g protein coupled receptor 0.0015 0.0041 0.0041
Echinococcus granulosus g protein coupled receptor 0.0015 0.0041 0.0042
Brugia malayi Dopamine receptor protein 1 0.0015 0.0041 0.0034
Schistosoma mansoni opsin-like receptor 0.0015 0.0041 0.0034
Leishmania major trypanothione reductase 0.0042 0.1734 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi RE15519p 0.0015 0.0041 0.0034
Echinococcus granulosus lamin 0.003 0.0975 0.1006
Echinococcus granulosus allatostatin A receptor 0.0015 0.0041 0.0042
Echinococcus multilocularis g protein coupled receptor 0.0015 0.0041 0.0041
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0015 0.0041 0.0041
Schistosoma mansoni biogenic amine receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Brugia malayi neuropeptide F receptor 0.0015 0.0041 0.0034
Echinococcus granulosus 7tm_1 domain containing protein 0.0015 0.0041 0.0042
Brugia malayi larval opioid receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus neuropeptide s receptor 0.0015 0.0041 0.0042
Echinococcus granulosus neuropeptide Y receptor 0.0015 0.0041 0.0042
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0015 0.0041 0.0041
Loa Loa (eye worm) G-protein coupled receptor 0.0015 0.0041 0.0041
Schistosoma mansoni lamin 0.003 0.0975 0.0969
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni amine GPCR 0.0015 0.0041 0.0034
Schistosoma mansoni biogenic amine (5HT) receptor 0.0015 0.0041 0.0034
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0015 0.0007 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0108 0.5794 1
Brugia malayi Thioredoxin reductase 0.0042 0.1734 0.1729
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0015 0.0041 0.0041
Echinococcus granulosus intermediate filament protein 0.003 0.0975 0.1006
Echinococcus granulosus neuropeptide receptor A26 0.0015 0.0041 0.0042
Echinococcus granulosus neuropeptides capa receptor 0.0015 0.0041 0.0042
Brugia malayi G-protein coupled receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0015 0.0007 0.0007
Loa Loa (eye worm) thioredoxin reductase 0.0042 0.1734 0.1734
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0015 0.0041 0.0034
Brugia malayi hypothetical protein 0.0124 0.6794 0.6792
Echinococcus granulosus biogenic amine 5HT receptor 0.014 0.7837 0.8085
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0108 0.5794 1
Schistosoma mansoni amine GPCR 0.0015 0.0041 0.0034
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.2031 1
Schistosoma mansoni neuropeptide receptor 0.0015 0.0041 0.0034
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0015 0.0041 0.0034
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0015 0.0007 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Echinococcus granulosus hypothetical protein 0.0015 0.0041 0.0042
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.003 0.0975 0.0975
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0015 0.0041 0.0034
Loa Loa (eye worm) G-protein coupled receptor 0.0015 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Mycobacterium tuberculosis Probable reductase 0.0097 0.5121 0.8837
Schistosoma mansoni neuropeptide F-like receptor 0.0015 0.0041 0.0034
Echinococcus granulosus tm gpcr rhodopsin 0.0015 0.0041 0.0042
Schistosoma mansoni biogenic amine receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis neuropeptide FF receptor 2 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus 7TM GPCR rhodopsin 0.0015 0.0041 0.0042
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0007 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.177 0.177
Echinococcus granulosus peptide allatostatin:somatostatin 0.0015 0.0041 0.0042
Trypanosoma brucei trypanothione reductase 0.0042 0.1734 1
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0015 0.0041 0.0041
Onchocerca volvulus 0.003 0.0975 0.1384
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0015 0.0041 0.0041
Echinococcus granulosus fmrfamide receptor 0.0015 0.0041 0.0042
Echinococcus multilocularis neuropeptide Y receptor 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni neuropeptide receptor 0.0015 0.0041 0.0034
Echinococcus granulosus neuropeptide FF receptor 2 0.0015 0.0041 0.0042
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0034
Schistosoma mansoni intermediate filament proteins 0.003 0.0975 0.0969
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.2299 0.2371
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0015 0.0041 0.0041
Brugia malayi MH2 domain containing protein 0.0144 0.8076 0.8075
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Echinococcus granulosus neuropeptide Y receptor 0.0015 0.0041 0.0042
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0015 0.0041 0.0041
Brugia malayi intermediate filament protein 0.003 0.0975 0.0969
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.1734 0.2985
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0015 0.0041 0.0041
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Schistosoma mansoni amine GPCR 0.0015 0.0041 0.0034
Echinococcus multilocularis serotonin receptor 0.014 0.7837 0.7837
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0975 0.0969
Brugia malayi neuropeptide F receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis neuropeptide receptor A26 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus tm gpcr rhodopsin 0.0015 0.0041 0.0042
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.1734 0.7538
Echinococcus multilocularis sex peptide receptor 0.0015 0.0041 0.0041
Echinococcus granulosus G protein coupled receptor 139 0.0015 0.0041 0.0042
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Brugia malayi ORL1-like opioid receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) intermediate filament protein 0.003 0.0975 0.0975
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.2299 1
Echinococcus granulosus neuropeptide receptor 0.0015 0.0041 0.0042
Echinococcus multilocularis fmrfamide receptor 0.0015 0.0041 0.0041
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Brugia malayi putative neuropeptide receptor 0.0015 0.0041 0.0034
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0015 0.0007 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Onchocerca volvulus Huntingtin homolog 0.0124 0.6794 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis neuropeptide s receptor 0.0015 0.0041 0.0041
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0.0007 0.5
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0015 0.0041 0.0041
Loa Loa (eye worm) glutathione reductase 0.0042 0.1734 0.1734
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Echinococcus multilocularis allatostatin A receptor 0.0015 0.0041 0.0041
Brugia malayi AKH receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis serotonin receptor 0.014 0.7837 0.7837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0097 0.5121 0.8837
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0015 0.0041 0.0042
Schistosoma mansoni lamin 0.003 0.0975 0.0969
Mycobacterium tuberculosis Probable oxidoreductase 0.0108 0.5794 1
Echinococcus granulosus dro:myosuppressin receptor 0.0015 0.0041 0.0042
Schistosoma mansoni neuropeptide f receptor 76f 0.0015 0.0041 0.0034
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.9694 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Echinococcus granulosus serotonin receptor 0.0015 0.0041 0.0042
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0015 0.0007 0.0007
Echinococcus multilocularis G protein coupled receptor 139 0.0015 0.0041 0.0041
Echinococcus granulosus orexin receptor type 2 0.0015 0.0041 0.0042
Schistosoma mansoni opsin-like receptor 0.0015 0.0041 0.0034
Brugia malayi Serotonin receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0015 0.0041 0.0041
Schistosoma mansoni neuropeptide receptor 0.0015 0.0041 0.0034
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0015 0.0041 0.0034
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0015 0.0041 0.0034
Echinococcus granulosus neuropeptide receptor 0.0015 0.0041 0.0042
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0015 0.0041 0.0034
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0097 0.5121 0.8837
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis neuropeptides capa receptor 0.0015 0.0041 0.0041
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.2299 1
Echinococcus multilocularis neuropeptide receptor 0.0015 0.0041 0.0041
Echinococcus multilocularis lamin 0.003 0.0975 0.0975
Echinococcus granulosus rhodopsin orphan GPCR 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0015 0.0041 0.0041
Echinococcus granulosus g-protein coupled receptor 0.0015 0.0041 0.0042
Echinococcus multilocularis orexin receptor type 2 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus tachykinin peptides receptor 99D 0.0015 0.0041 0.0042
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.2031 1
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0015 0.0041 0.0041
Schistosoma mansoni neuropeptide F-like receptor 0.0015 0.0041 0.0034
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.2299 1
Echinococcus granulosus somatostatin receptor 0.0015 0.0041 0.0042
Brugia malayi Serotonin receptor 0.0015 0.0041 0.0034
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0015 0.0041 0.0042
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Loa Loa (eye worm) neuropeptide F receptor 0.0015 0.0041 0.0041
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0015 0.0041 0.0034
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.01 0.0094
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Treponema pallidum NADH oxidase 0.0015 0.0007 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.8076 0.8076
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0015 0.0041 0.0041
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Schistosoma mansoni growth hormone secretagogue receptor 0.0015 0.0041 0.0034
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Brugia malayi hypothetical protein 0.0015 0.0041 0.0034
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.2299 1
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0015 0.0041 0.0042
Echinococcus multilocularis dro:myosuppressin receptor 0.0015 0.0041 0.0041
Echinococcus multilocularis neuropeptides capa receptor 0.0015 0.0041 0.0041
Schistosoma mansoni adenoreceptor 0.0015 0.0041 0.0034
Echinococcus multilocularis g protein coupled receptor 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus lamin dm0 0.003 0.0975 0.1006
Echinococcus granulosus tm gpcr rhodopsin 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0015 0.0041 0.0042
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.2031 0.5
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0015 0.0041 0.0041
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.177 0.1825
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0015 0.0041 0.0034
Brugia malayi G-protein coupled receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus granulosus alpha 1A adrenergic receptor 0.0015 0.0041 0.0042
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0015 0.0041 0.0041
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0015 0.0041 0.0034
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0015 0.0041 0.0041
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0015 0.0041 0.0034
Echinococcus multilocularis rhodopsin orphan GPCR 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.014 0.7837 0.7837
Brugia malayi follicle stimulating hormone receptor 0.0015 0.0041 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.0041 0.0041
Schistosoma mansoni myosin xvIII 0.0015 0.0041 0.0034
Echinococcus multilocularis lamin dm0 0.003 0.0975 0.0975
Onchocerca volvulus Huntingtin homolog 0.0124 0.6794 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0015 0.0041 0.0034
Loa Loa (eye worm) neuropeptide F receptor 0.0015 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0015 0.0041 0.0034
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0015 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0124 0.6794 0.6794
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.2299 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0097 0.5121 0.8837
Brugia malayi G protein-coupled receptor 0.0015 0.0041 0.0034
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0015 0.0041 0.0041

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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